Computational Resources

Hardware:

• State-of-the-art, Opteron 2.6 GHz, 4 CPUs, 11 node cluster (44 processors)

• 6 Intel Xenon 1.06 GHz 2 Quad-Core computers (48) processors

Software:

• Molecular Modeling: GaussView, Spartan, Titan, Molden, Pymol, SwissPDB Viewer and VMD
• Calculations: Gaussian03 and GROMAC